2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one

C15H25N3OS — CID 60937727

IUPAC2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C15H25N3OS/c1-3-5-15(2,16)14(19)18-8-6-17(7-9-18)11-13-4-10-20-12-13/h4,10,12H,3,5-9,11,16H2,1-2H3
InChIKeyRNTLGQRYZWOGJN-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.91
Rot. Bonds5

About 2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one

2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one (PubChem CID 60937727) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
PubChem CID60937727
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C15H25N3OS/c1-3-5-15(2,16)14(19)18-8-6-17(7-9-18)11-13-4-10-20-12-13/h4,10,12H,3,5-9,11,16H2,1-2H3
InChIKeyRNTLGQRYZWOGJN-UHFFFAOYSA-N
XLogP1.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
2,2,3,3-tetrafluoro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 103732222
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752077
1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine
CID 770650
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
(4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63122301
2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119704901
4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 79200562
2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 60848035
2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119838581
2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]sulfanylacetic acid
CID 104569508
4-(methylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-1-one
CID 54869917

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one (CID 60937727) is 2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one is CCCC(C)(N)C(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one?
The InChIKey is RNTLGQRYZWOGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-5-15(2,16)14(19)18-8-6-17(7-9-18)11-13-4-10-20-12-13/h4,10,12H,3,5-9,11,16H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one?
2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one has a molecular weight of 295.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 60937727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).